(3R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide

C14H23N3O3S — CID 129347105

IUPAC(3R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide
SMILESCC(C)(C)c1nc(CN2CCS(=O)(=O)C[C@H]2C2CC2)no1
InChIInChI=1S/C14H23N3O3S/c1-14(2,3)13-15-12(16-20-13)8-17-6-7-21(18,19)9-11(17)10-4-5-10/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyRUYQCPKRUGWAPE-NSHDSACASA-N
MW313.42 g/mol
LogP1.38
Rot. Bonds3

About (3R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide

(3R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide (PubChem CID 129347105) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is (3R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name(3R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide
PubChem CID129347105
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name(3R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide
SMILESCC(C)(C)c1nc(CN2CCS(=O)(=O)C[C@H]2C2CC2)no1
InChIInChI=1S/C14H23N3O3S/c1-14(2,3)13-15-12(16-20-13)8-17-6-7-21(18,19)9-11(17)10-4-5-10/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyRUYQCPKRUGWAPE-NSHDSACASA-N
XLogP1.38
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of (3R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide (CID 129347105) is (3R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for (3R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for (3R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide is CC(C)(C)c1nc(CN2CCS(=O)(=O)C[C@H]2C2CC2)no1.
What is the InChIKey of (3R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is RUYQCPKRUGWAPE-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-14(2,3)13-15-12(16-20-13)8-17-6-7-21(18,19)9-11(17)10-4-5-10/h10-11H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (3R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide?
(3R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 313.42 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 129347105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).